1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid

C14H16N2O5 — CID 169041659

IUPAC1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C14H16N2O5/c17-11(16-14(6-7-14)12(18)19)8-15-13(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyNLIJVXNPJPEPBH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.65
Rot. Bonds6

About 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 169041659) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID169041659
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C14H16N2O5/c17-11(16-14(6-7-14)12(18)19)8-15-13(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyNLIJVXNPJPEPBH-UHFFFAOYSA-N
XLogP0.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-4,4-difluorocyclohexyl]amino]-2-oxoethyl]carbamate
CID 156734417
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
benzyl N-[2-[(2,6-dihydroxycyclohexyl)amino]-2-oxoethyl]carbamate
CID 13338812
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid (CID 169041659) is 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid is O=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is NLIJVXNPJPEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-11(16-14(6-7-14)12(18)19)8-15-13(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 169041659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).