(2R)-2-acetamidopentanedioic acid

C14H22N2O10 — CID 161394708

IUPAC(2R)-2-acetamidopentanedioic acid
SMILESCC(=O)N[C@H](CCC(=O)O)C(=O)O.CC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/2C7H11NO5/c2*1-4(9)8-5(7(12)13)2-3-6(10)11/h2*5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t2*5-/m11/s1
InChIKeyVTLHIMALJRMRQM-BXXIVHCWSA-N
MW378.33 g/mol
LogP-1.12
Rot. Bonds10

About (2R)-2-acetamidopentanedioic acid

(2R)-2-acetamidopentanedioic acid (PubChem CID 161394708) has the molecular formula C14H22N2O10 and a molecular weight of 378.33 g/mol. Its IUPAC name is (2R)-2-acetamidopentanedioic acid.

Molecular Properties

Compound Name(2R)-2-acetamidopentanedioic acid
PubChem CID161394708
Molecular FormulaC14H22N2O10
Molecular Weight378.33 g/mol
Exact Mass378.13
IUPAC Name(2R)-2-acetamidopentanedioic acid
SMILESCC(=O)N[C@H](CCC(=O)O)C(=O)O.CC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/2C7H11NO5/c2*1-4(9)8-5(7(12)13)2-3-6(10)11/h2*5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t2*5-/m11/s1
InChIKeyVTLHIMALJRMRQM-BXXIVHCWSA-N
XLogP-1.12
TPSA207.40 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
2-[(2-acetamido-3-carboxypropanoyl)amino]-5-amino-5-oxopentanoic acid
CID 73073678
(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-amino-5-oxopentanoic acid
CID 11722500
2-(propanoylamino)pentanedioic acid
CID 10436353
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 5273301
(2R)-2-[(2-acetamido-3-phenylpropanoyl)amino]pentanedioic acid
CID 173435460
2-(3-methylbut-2-enoylamino)pentanedioic acid
CID 60832486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamidopentanedioic acid?
The IUPAC name of (2R)-2-acetamidopentanedioic acid (CID 161394708) is (2R)-2-acetamidopentanedioic acid.
What is the SMILES notation for (2R)-2-acetamidopentanedioic acid?
The canonical SMILES for (2R)-2-acetamidopentanedioic acid is CC(=O)N[C@H](CCC(=O)O)C(=O)O.CC(=O)N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-acetamidopentanedioic acid?
The InChIKey is VTLHIMALJRMRQM-BXXIVHCWSA-N. The full InChI is InChI=1S/2C7H11NO5/c2*1-4(9)8-5(7(12)13)2-3-6(10)11/h2*5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t2*5-/m11/s1.
What are the key properties of (2R)-2-acetamidopentanedioic acid?
(2R)-2-acetamidopentanedioic acid has a molecular weight of 378.33 g/mol, XLogP of -1.12, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamidopentanedioic acid is sourced from PubChem (CID 161394708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).