(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid

C9H18N2O3 — CID 107564391

IUPAC(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CN(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)10-8(12)6-11(2)3/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14)/t7-/m0/s1
InChIKeyNKAHAPDYZBXWKB-ZETCQYMHSA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds6

About (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid

(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid (PubChem CID 107564391) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
PubChem CID107564391
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CN(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)10-8(12)6-11(2)3/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14)/t7-/m0/s1
InChIKeyNKAHAPDYZBXWKB-ZETCQYMHSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
CID 107562837
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid (CID 107564391) is (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)CN(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid?
The InChIKey is NKAHAPDYZBXWKB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)10-8(12)6-11(2)3/h7H,4-6H2,1-3H3,(H,10,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).