(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid

C11H20N2O3 — CID 61183008

IUPAC(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m0/s1
InChIKeyLZQBWWBRIZHBDY-VIFPVBQESA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds6

About (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid

(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 61183008) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID61183008
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m0/s1
InChIKeyLZQBWWBRIZHBDY-VIFPVBQESA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 81040273
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 63994181
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid (CID 61183008) is (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)NCC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is LZQBWWBRIZHBDY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)5-9(10(14)15)13-11(16)12-6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid?
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 61183008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).