2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid

C10H18N2O4 — CID 112626729

IUPAC2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(CO)C1
InChIInChI=1S/C10H18N2O4/c1-7(9(14)15)11(2)10(16)12-4-3-8(5-12)6-13/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyBKCIVCUMGSGCBE-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.17
Rot. Bonds3

About 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid

2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid (PubChem CID 112626729) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
PubChem CID112626729
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(CO)C1
InChIInChI=1S/C10H18N2O4/c1-7(9(14)15)11(2)10(16)12-4-3-8(5-12)6-13/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyBKCIVCUMGSGCBE-UHFFFAOYSA-N
XLogP-0.17
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
2-[butan-2-yl-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626820
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid
CID 79934908
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
CID 91660515

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid (CID 112626729) is 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCC(CO)C1.
What is the InChIKey of 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid?
The InChIKey is BKCIVCUMGSGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(9(14)15)11(2)10(16)12-4-3-8(5-12)6-13/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid?
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 112626729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).