(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

C23H39N3O6 — CID 59149356

IUPAC(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39N3O6/c1-23(2,3)32-22(31)25-18(14-15-19(27)28)20(29)26(17-12-8-5-9-13-17)21(30)24-16-10-6-4-7-11-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31)(H,27,28)/t18-/m1/s1
InChIKeyOZFKXSRHVUOBSO-GOSISDBHSA-N
MW453.58 g/mol
LogP3.95
Rot. Bonds7

About (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (PubChem CID 59149356) has the molecular formula C23H39N3O6 and a molecular weight of 453.58 g/mol. Its IUPAC name is (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
PubChem CID59149356
Molecular FormulaC23H39N3O6
Molecular Weight453.58 g/mol
Exact Mass453.28
IUPAC Name(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39N3O6/c1-23(2,3)32-22(31)25-18(14-15-19(27)28)20(29)26(17-12-8-5-9-13-17)21(30)24-16-10-6-4-7-11-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31)(H,27,28)/t18-/m1/s1
InChIKeyOZFKXSRHVUOBSO-GOSISDBHSA-N
XLogP3.95
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 138487677
N-cyclohexylcyclohexanamine;(4R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 133126490
tert-butyl N-[(2S)-3-cyano-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 135032048
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
tert-butyl N-[5-amino-1-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-propan-2-ylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18063058
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
tert-butyl N-[(2S)-1-(cycloheptylamino)-1-oxo-7-sulfanylheptan-2-yl]carbamate
CID 11844893
tert-butyl N-[5-amino-1-[cyclobutyl-[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063523

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (CID 59149356) is (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The InChIKey is OZFKXSRHVUOBSO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H39N3O6/c1-23(2,3)32-22(31)25-18(14-15-19(27)28)20(29)26(17-12-8-5-9-13-17)21(30)24-16-10-6-4-7-11-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31)(H,27,28)/t18-/m1/s1.
What are the key properties of (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid has a molecular weight of 453.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 59149356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).