(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid

C8H14N2O3 — CID 104865758

IUPAC(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NC1(C)CC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(6(11)12)9-7(13)10-8(2)3-4-8/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1
InChIKeyYBJLUXHJBMBXNQ-YFKPBYRVSA-N
MW186.21 g/mol
LogP0.31
Rot. Bonds3

About (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid

(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 104865758) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID104865758
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NC1(C)CC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(6(11)12)9-7(13)10-8(2)3-4-8/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1
InChIKeyYBJLUXHJBMBXNQ-YFKPBYRVSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
CID 103927907
1-(1-methylcyclopropyl)-3-pent-4-yn-2-ylurea
CID 131207081
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
(2S)-4-hydroxy-2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoylamino]butanoic acid
CID 114005558
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid (CID 104865758) is (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid is C[C@H](NC(=O)NC1(C)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is YBJLUXHJBMBXNQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(6(11)12)9-7(13)10-8(2)3-4-8/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1.
What are the key properties of (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid?
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 104865758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).