(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid

C16H28N2O5 — CID 68551435

IUPAC(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)C[C@@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-12(19)9-13(14(20)21)18-11-7-5-4-6-8-11/h11,13,18H,4-10H2,1-3H3,(H,17,22)(H,20,21)/t13-/m1/s1
InChIKeyCJUQWZQNTIMXSH-CYBMUJFWSA-N
MW328.41 g/mol
LogP1.85
Rot. Bonds7

About (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid

(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid (PubChem CID 68551435) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
PubChem CID68551435
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)C[C@@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-12(19)9-13(14(20)21)18-11-7-5-4-6-8-11/h11,13,18H,4-10H2,1-3H3,(H,17,22)(H,20,21)/t13-/m1/s1
InChIKeyCJUQWZQNTIMXSH-CYBMUJFWSA-N
XLogP1.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
CID 68551431
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine
CID 12017189
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
N-cyclohexylcyclohexanamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131863507
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The IUPAC name of (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid (CID 68551435) is (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid is CC(C)(C)OC(=O)NCC(=O)C[C@@H](NC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The InChIKey is CJUQWZQNTIMXSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-12(19)9-13(14(20)21)18-11-7-5-4-6-8-11/h11,13,18H,4-10H2,1-3H3,(H,17,22)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid has a molecular weight of 328.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid is sourced from PubChem (CID 68551435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).