(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

C9H17N3O3 — CID 67154447

IUPAC(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESN[C@@H](CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyVSCOWAHQFWWZCH-MLWJPKLSSA-N
MW215.25 g/mol
LogP-1.34
Rot. Bonds5

About (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (PubChem CID 67154447) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
PubChem CID67154447
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESN[C@@H](CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyVSCOWAHQFWWZCH-MLWJPKLSSA-N
XLogP-1.34
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
CID 81073110
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (CID 67154447) is (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is N[C@@H](CNC(=O)CC1CCCN1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The InChIKey is VSCOWAHQFWWZCH-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 67154447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).