(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid

C9H18N2O3 — CID 103869979

IUPAC(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)[C@@H](N)CC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-5-7(9(13)14)11-8(12)6(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7+/m0/s1
InChIKeyKCCONMHMAWKBOY-NKWVEPMBSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds6

About (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid

(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid (PubChem CID 103869979) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
PubChem CID103869979
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)[C@@H](N)CC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-5-7(9(13)14)11-8(12)6(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7+/m0/s1
InChIKeyKCCONMHMAWKBOY-NKWVEPMBSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid
CID 107565129
(2R)-2-(2-aminopent-4-enoylamino)pentanoic acid
CID 107565006
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid (CID 103869979) is (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)[C@@H](N)CC)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid?
The InChIKey is KCCONMHMAWKBOY-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-7(9(13)14)11-8(12)6(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid?
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid is sourced from PubChem (CID 103869979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).