3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid

C10H18N2O4 — CID 66167992

IUPAC3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCN(C(=O)NCC(O)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-5-12(7-3-4-7)10(16)11-6-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyPXVDAUFJOMPDRQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.02
Rot. Bonds6

About 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid

3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66167992) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66167992
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCN(C(=O)NCC(O)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-5-12(7-3-4-7)10(16)11-6-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyPXVDAUFJOMPDRQ-UHFFFAOYSA-N
XLogP0.02
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[[piperidin-4-yl(propyl)carbamoyl]amino]propanoic acid
CID 107838747
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
CID 114227148
3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66166749
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
2-[[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221185

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid (CID 66167992) is 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid is CCCN(C(=O)NCC(O)C(=O)O)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is PXVDAUFJOMPDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-5-12(7-3-4-7)10(16)11-6-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid?
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).