2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid

C9H15N3O4 — CID 3013626

IUPAC2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O4/c10-4-7(13)12-3-1-2-6(12)9(16)11-5-8(14)15/h6H,1-5,10H2,(H,11,16)(H,14,15)/t6-/m0/s1
InChIKeyNSVOVKWEKGEOQB-LURJTMIESA-N
MW229.24 g/mol
LogP-1.86
Rot. Bonds4

About 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 3013626) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID3013626
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O4/c10-4-7(13)12-3-1-2-6(12)9(16)11-5-8(14)15/h6H,1-5,10H2,(H,11,16)(H,14,15)/t6-/m0/s1
InChIKeyNSVOVKWEKGEOQB-LURJTMIESA-N
XLogP-1.86
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid (CID 3013626) is 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid is NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is NSVOVKWEKGEOQB-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O4/c10-4-7(13)12-3-1-2-6(12)9(16)11-5-8(14)15/h6H,1-5,10H2,(H,11,16)(H,14,15)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 3013626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).