(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

C12H24N2O3 — CID 82012413

IUPAC(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)6-10(12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)/t9?,10-/m1/s1
InChIKeyMWIZOCCVVLTRAO-QVDQXJPCSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds8

About (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (PubChem CID 82012413) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
PubChem CID82012413
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)6-10(12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)/t9?,10-/m1/s1
InChIKeyMWIZOCCVVLTRAO-QVDQXJPCSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid
CID 78992738
(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119363291
4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119188349
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87663498
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
2-[(5-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid
CID 82012634
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (CID 82012413) is (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)CCC(C)CN)C(=O)O.
What is the InChIKey of (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The InChIKey is MWIZOCCVVLTRAO-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)6-10(12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82012413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).