4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide

C7H16N2O4 — CID 121421909

IUPAC4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide
SMILESNC(=O)CCCOC[C@H](N)C(O)O
InChIInChI=1S/C7H16N2O4/c8-5(7(11)12)4-13-3-1-2-6(9)10/h5,7,11-12H,1-4,8H2,(H2,9,10)/t5-/m0/s1
InChIKeyPUKQIVAAPRHNRE-YFKPBYRVSA-N
MW192.21 g/mol
LogP-2.09
Rot. Bonds7

About 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide

4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide (PubChem CID 121421909) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide
PubChem CID121421909
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide
SMILESNC(=O)CCCOC[C@H](N)C(O)O
InChIInChI=1S/C7H16N2O4/c8-5(7(11)12)4-13-3-1-2-6(9)10/h5,7,11-12H,1-4,8H2,(H2,9,10)/t5-/m0/s1
InChIKeyPUKQIVAAPRHNRE-YFKPBYRVSA-N
XLogP-2.09
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide?
The IUPAC name of 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide (CID 121421909) is 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide.
What is the SMILES notation for 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide?
The canonical SMILES for 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide is NC(=O)CCCOC[C@H](N)C(O)O.
What is the InChIKey of 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide?
The InChIKey is PUKQIVAAPRHNRE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N2O4/c8-5(7(11)12)4-13-3-1-2-6(9)10/h5,7,11-12H,1-4,8H2,(H2,9,10)/t5-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide?
4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide has a molecular weight of 192.21 g/mol, XLogP of -2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide is sourced from PubChem (CID 121421909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).