(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid

C9H16N2O4 — CID 107562837

IUPAC(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(C)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-4-7(9(14)15)11-8(13)5-10-6(2)12/h7H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t7-/m1/s1
InChIKeyNVRXXQLEGSBRRX-SSDOTTSWSA-N
MW216.24 g/mol
LogP-0.51
Rot. Bonds6

About (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid

(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid (PubChem CID 107562837) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
PubChem CID107562837
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(C)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-4-7(9(14)15)11-8(13)5-10-6(2)12/h7H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t7-/m1/s1
InChIKeyNVRXXQLEGSBRRX-SSDOTTSWSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
CID 175894860
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoic acid
CID 24700920
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2S)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563778
(2R)-2-[(2-acetamidoacetyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931636
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563658
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid (CID 107562837) is (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid is CCC[C@@H](NC(=O)CNC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid?
The InChIKey is NVRXXQLEGSBRRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-4-7(9(14)15)11-8(13)5-10-6(2)12/h7H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid?
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid is sourced from PubChem (CID 107562837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).