(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid

C11H20N2O3 — CID 61196193

IUPAC(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-7(2)9(10(14)15)12-11(16)13(3)8-5-6-8/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,9-/m0/s1
InChIKeyQLGCNBGEMLVOHE-NETXQHHPSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid

(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid (PubChem CID 61196193) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
PubChem CID61196193
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-7(2)9(10(14)15)12-11(16)13(3)8-5-6-8/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,9-/m0/s1
InChIKeyQLGCNBGEMLVOHE-NETXQHHPSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61455510
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515
(2S,3S)-3-methyl-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 61203270
(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid (CID 61196193) is (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)N(C)C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
The InChIKey is QLGCNBGEMLVOHE-NETXQHHPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-7(2)9(10(14)15)12-11(16)13(3)8-5-6-8/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid?
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 61196193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).