2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid

C9H18N4O4 — CID 130366910

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C5H9NO2.C4H9N3O2/c7-5(8)4-2-1-3-6-4;1-7(4(5)6)2-3(8)9/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H3,5,6)(H,8,9)/t4-;/m0./s1
InChIKeySICHYTAGKXROFP-WCCKRBBISA-N
MW246.27 g/mol
LogP-1.28
Rot. Bonds3

About 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid

2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 130366910) has the molecular formula C9H18N4O4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID130366910
Molecular FormulaC9H18N4O4
Molecular Weight246.27 g/mol
Exact Mass246.13
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C5H9NO2.C4H9N3O2/c7-5(8)4-2-1-3-6-4;1-7(4(5)6)2-3(8)9/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H3,5,6)(H,8,9)/t4-;/m0./s1
InChIKeySICHYTAGKXROFP-WCCKRBBISA-N
XLogP-1.28
TPSA139.74 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
2-[carbamimidoyl(methyl)amino]acetic acid;propanedioic acid
CID 139530070
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
CID 10285829
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
nitroxyl;(2S)-pyrrolidine-2-carboxylic acid
CID 145376752
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(213C)azolidine-2-carboxylic acid
CID 10290769
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 130366910) is 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is SICHYTAGKXROFP-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C4H9N3O2/c7-5(8)4-2-1-3-6-4;1-7(4(5)6)2-3(8)9/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H3,5,6)(H,8,9)/t4-;/m0./s1.
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of -1.28, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130366910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).