2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid

C7H11N3O2 — CID 116942235

IUPAC2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
SMILESNC(C(=O)O)C(N)c1cc[nH]c1
InChIInChI=1S/C7H11N3O2/c8-5(6(9)7(11)12)4-1-2-10-3-4/h1-3,5-6,10H,8-9H2,(H,11,12)
InChIKeySSUFSNKZYATPLE-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.57
Rot. Bonds3

About 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid

2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid (PubChem CID 116942235) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
PubChem CID116942235
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
SMILESNC(C(=O)O)C(N)c1cc[nH]c1
InChIInChI=1S/C7H11N3O2/c8-5(6(9)7(11)12)4-1-2-10-3-4/h1-3,5-6,10H,8-9H2,(H,11,12)
InChIKeySSUFSNKZYATPLE-UHFFFAOYSA-N
XLogP-0.57
TPSA105.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
methyl 2-[amino(1H-pyrrol-3-yl)methyl]-3-methylbutanoate
CID 116946090
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182
(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
CID 170443503
3-[amino(1H-pyrrol-3-yl)methyl]benzoic acid
CID 116938715
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
hydrazinyl(1H-pyrrol-3-yl)methanamine
CID 116947455
2-[dimethylamino(1H-pyrrol-3-yl)methyl]-3-methylbutanoic acid
CID 116913167
2,3-diamino-3-(4-propan-2-ylsulfanylphenyl)propanoic acid
CID 116942259
1,1,1,5,5,5-hexafluoro-2,4-bis(1H-pyrrol-3-yl)pentan-3-one
CID 140967876
4-(dimethylamino)-2-methyl-4-(1H-pyrrol-3-yl)butanoic acid
CID 116908269

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid (CID 116942235) is 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid is NC(C(=O)O)C(N)c1cc[nH]c1.
What is the InChIKey of 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid?
The InChIKey is SSUFSNKZYATPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-5(6(9)7(11)12)4-1-2-10-3-4/h1-3,5-6,10H,8-9H2,(H,11,12).
What are the key properties of 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid?
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 116942235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).