(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid

C15H30N2O3 — CID 102907074

IUPAC(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-8-12(10(3)4)11(5)6/h9-13H,7-8H2,1-6H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyGVVHMVXLVVZIPR-ZDUSSCGKSA-N
MW286.42 g/mol
LogP2.71
Rot. Bonds8

About (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid

(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid (PubChem CID 102907074) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
PubChem CID102907074
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-8-12(10(3)4)11(5)6/h9-13H,7-8H2,1-6H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyGVVHMVXLVVZIPR-ZDUSSCGKSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
CID 55055578
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
CID 78976126
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid (CID 102907074) is (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid is CC(C)C[C@H](NC(=O)NCC(C(C)C)C(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid?
The InChIKey is GVVHMVXLVVZIPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-8-12(10(3)4)11(5)6/h9-13H,7-8H2,1-6H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid?
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 102907074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).