sodium;(2S)-2-acetamidopentanedioic acid;hydride

C7H12NNaO5 — CID 174759802

IUPACsodium;(2S)-2-acetamidopentanedioic acid;hydride
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H11NO5.Na.H/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1/t5-;;/m0../s1
InChIKeyGCCGQUNWUWHOAM-XRIGFGBMSA-N
MW213.16 g/mol
LogP-3.44
Rot. Bonds5

About sodium;(2S)-2-acetamidopentanedioic acid;hydride

sodium;(2S)-2-acetamidopentanedioic acid;hydride (PubChem CID 174759802) has the molecular formula C7H12NNaO5 and a molecular weight of 213.16 g/mol. Its IUPAC name is sodium;(2S)-2-acetamidopentanedioic acid;hydride.

Molecular Properties

Compound Namesodium;(2S)-2-acetamidopentanedioic acid;hydride
PubChem CID174759802
Molecular FormulaC7H12NNaO5
Molecular Weight213.16 g/mol
Exact Mass213.06
IUPAC Namesodium;(2S)-2-acetamidopentanedioic acid;hydride
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H11NO5.Na.H/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1/t5-;;/m0../s1
InChIKeyGCCGQUNWUWHOAM-XRIGFGBMSA-N
XLogP-3.44
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-3.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze sodium;(2S)-2-acetamidopentanedioic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamidopentanedioic acid
CID 161394708
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
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 sodium;(2S)-2-acetamidopentanedioic acid;hydride?
The IUPAC name of sodium;(2S)-2-acetamidopentanedioic acid;hydride (CID 174759802) is sodium;(2S)-2-acetamidopentanedioic acid;hydride.
What is the SMILES notation for sodium;(2S)-2-acetamidopentanedioic acid;hydride?
The canonical SMILES for sodium;(2S)-2-acetamidopentanedioic acid;hydride is CC(=O)N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2S)-2-acetamidopentanedioic acid;hydride?
The InChIKey is GCCGQUNWUWHOAM-XRIGFGBMSA-N. The full InChI is InChI=1S/C7H11NO5.Na.H/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of sodium;(2S)-2-acetamidopentanedioic acid;hydride?
sodium;(2S)-2-acetamidopentanedioic acid;hydride has a molecular weight of 213.16 g/mol, XLogP of -3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-acetamidopentanedioic acid;hydride is sourced from PubChem (CID 174759802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).