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

C8H15NO4 — CID 15691184

IUPAC(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(2)3-6(8(12)13)9-4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyGMJKDYXVGSEHNB-LURJTMIESA-N
MW189.21 g/mol
LogP0.16
Rot. Bonds6

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

(2S)-2-(carboxymethylamino)-4-methylpentanoic acid (PubChem CID 15691184) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-2-(carboxymethylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
PubChem CID15691184
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(2)3-6(8(12)13)9-4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyGMJKDYXVGSEHNB-LURJTMIESA-N
XLogP0.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
(2R)-2-(carboxymethylamino)-5-(diaminomethylideneamino)-4-methylpentanoic acid
CID 90787116
4-methyl-2-(2-methylbutylamino)pentanoic acid
CID 23297604
2-(carboxymethylamino)propanoic acid
CID 2764308
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
2-(5-hydroxypentylamino)-4-methylpentanoic acid
CID 62228109
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carboxymethylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(carboxymethylamino)-4-methylpentanoic acid (CID 15691184) is (2S)-2-(carboxymethylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(carboxymethylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(carboxymethylamino)-4-methylpentanoic acid is CC(C)C[C@H](NCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(carboxymethylamino)-4-methylpentanoic acid?
The InChIKey is GMJKDYXVGSEHNB-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)3-6(8(12)13)9-4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(carboxymethylamino)-4-methylpentanoic acid?
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carboxymethylamino)-4-methylpentanoic acid is sourced from PubChem (CID 15691184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).