(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid

C9H17N3O3 — CID 62062405

IUPAC(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1CCC(CN)C1)C(=O)O
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)11-9(15)12-3-2-7(4-10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)/t6-,7?/m0/s1
InChIKeyPEUCYNDTRFRRCQ-PKPIPKONSA-N
MW215.25 g/mol
LogP-0.55
Rot. Bonds3

About (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid

(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 62062405) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID62062405
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1CCC(CN)C1)C(=O)O
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)11-9(15)12-3-2-7(4-10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)/t6-,7?/m0/s1
InChIKeyPEUCYNDTRFRRCQ-PKPIPKONSA-N
XLogP-0.55
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 104899026
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 62062405) is (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid is C[C@H](NC(=O)N1CCC(CN)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is PEUCYNDTRFRRCQ-PKPIPKONSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(8(13)14)11-9(15)12-3-2-7(4-10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 62062405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).