(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid

C10H18N2O3 — CID 78972118

IUPAC(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)N[C@H](C)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-3-6-12(8-4-5-8)10(15)11-7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKeyKQIATMGRMINYOZ-SSDOTTSWSA-N
MW214.26 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid

(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 78972118) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
PubChem CID78972118
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)N[C@H](C)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-3-6-12(8-4-5-8)10(15)11-7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKeyKQIATMGRMINYOZ-SSDOTTSWSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid (CID 78972118) is (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid is CCCN(C(=O)N[C@H](C)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is KQIATMGRMINYOZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-6-12(8-4-5-8)10(15)11-7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78972118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).