(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C12H21NO4 — CID 169118256

IUPAC(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(8-4-5-8)6-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyMYKJJLZVHWBSDA-SECBINFHSA-N
MW243.30 g/mol
LogP2.15
Rot. Bonds5

About (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 169118256) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID169118256
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(8-4-5-8)6-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyMYKJJLZVHWBSDA-SECBINFHSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]cyclohexyl]butanoic acid
CID 141409750
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
CID 34178705
tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
CID 24730282
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl (5R)-5-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 164726182
[(2S)-1-amino-4-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxosulfanium
CID 175364976
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate
CID 58488469

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 169118256) is (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is MYKJJLZVHWBSDA-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(8-4-5-8)6-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 169118256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).