2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid

C8H16N2O3 — CID 105443031

IUPAC2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
SMILESNC(CC(O)C1CCNC1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyCSDQZGZBIWEFHC-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.24
Rot. Bonds4

About 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid

2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid (PubChem CID 105443031) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
PubChem CID105443031
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
SMILESNC(CC(O)C1CCNC1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyCSDQZGZBIWEFHC-UHFFFAOYSA-N
XLogP-1.24
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
CID 105442035
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
2-cyclopropyl-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164654555
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid?
The IUPAC name of 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid (CID 105443031) is 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid is NC(CC(O)C1CCNC1)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid?
The InChIKey is CSDQZGZBIWEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-7,10-11H,1-4,9H2,(H,12,13).
What are the key properties of 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid?
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid is sourced from PubChem (CID 105443031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).