2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C8H17N3O2 — CID 112626151

IUPAC2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)C(N)CN1CCC(CO)C1
InChIInChI=1S/C8H17N3O2/c9-7(8(10)13)4-11-2-1-6(3-11)5-12/h6-7,12H,1-5,9H2,(H2,10,13)
InChIKeyJPXZNYYAFUSLKJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.89
Rot. Bonds4

About 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 112626151) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID112626151
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)C(N)CN1CCC(CO)C1
InChIInChI=1S/C8H17N3O2/c9-7(8(10)13)4-11-2-1-6(3-11)5-12/h6-7,12H,1-5,9H2,(H2,10,13)
InChIKeyJPXZNYYAFUSLKJ-UHFFFAOYSA-N
XLogP-1.89
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopropanamide
CID 115561447
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 2-acetamido-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112626135
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114501145

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 112626151) is 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is NC(=O)C(N)CN1CCC(CO)C1.
What is the InChIKey of 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is JPXZNYYAFUSLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-7(8(10)13)4-11-2-1-6(3-11)5-12/h6-7,12H,1-5,9H2,(H2,10,13).
What are the key properties of 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 112626151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).