2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid

C9H15N3O4 — CID 63006441

IUPAC2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)C1CCNC1
InChIInChI=1S/C9H15N3O4/c13-7(11-5-8(14)15)4-12-9(16)6-1-2-10-3-6/h6,10H,1-5H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyWERSDRPBXKLIHZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.09
Rot. Bonds5

About 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid

2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid (PubChem CID 63006441) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
PubChem CID63006441
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)C1CCNC1
InChIInChI=1S/C9H15N3O4/c13-7(11-5-8(14)15)4-12-9(16)6-1-2-10-3-6/h6,10H,1-5H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyWERSDRPBXKLIHZ-UHFFFAOYSA-N
XLogP-2.09
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
CID 119738367
(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130670847
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid
CID 64767260
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid (CID 63006441) is 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)C1CCNC1.
What is the InChIKey of 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is WERSDRPBXKLIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c13-7(11-5-8(14)15)4-12-9(16)6-1-2-10-3-6/h6,10H,1-5H2,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid?
2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 63006441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).