(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid

C11H20N2O5 — CID 79001418

IUPAC(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(N)CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyYBAFDPFAUTYYRW-MQWKRIRWSA-N
MW260.29 g/mol
LogP-0.21
Rot. Bonds8

About (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid

(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid (PubChem CID 79001418) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
PubChem CID79001418
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(N)CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyYBAFDPFAUTYYRW-MQWKRIRWSA-N
XLogP-0.21
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175767787
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 22411045
2-[[2-[[2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 19018448
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 175912300
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 175899248
2-[[4-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 22696645
2-[[2-[[5-amino-2-[(2-amino-4-carboxybutanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 18264946
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 22696922
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 22696743
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18266215
4-amino-5-[[4-carboxy-1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264655
2-[[2-[[6-amino-2-[(2-amino-4-carboxybutanoyl)amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 22697101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid (CID 79001418) is (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)C(N)CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid?
The InChIKey is YBAFDPFAUTYYRW-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid?
(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79001418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).