2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid

C11H20N2O4 — CID 55000658

IUPAC2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)N(CC1CC1)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)13(5-8-3-4-8)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyILELFPXYVSFKAS-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds6

About 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid

2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 55000658) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID55000658
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)N(CC1CC1)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)13(5-8-3-4-8)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyILELFPXYVSFKAS-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830747
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827078
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670304
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61202887
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801439
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 55000658) is 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid is CC(C)N(CC1CC1)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is ILELFPXYVSFKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)13(5-8-3-4-8)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid?
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 55000658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).