5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid

C10H19NO4 — CID 87941374

IUPAC5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCOC(=O)[C@H](C)NCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-15-10(14)8(2)11-7-5-4-6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyVWLPFKOIGIDXNX-QMMMGPOBSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds8

About 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid

5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid (PubChem CID 87941374) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
PubChem CID87941374
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCOC(=O)[C@H](C)NCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-15-10(14)8(2)11-7-5-4-6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyVWLPFKOIGIDXNX-QMMMGPOBSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid?
The IUPAC name of 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid (CID 87941374) is 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid is CCOC(=O)[C@H](C)NCCCCC(=O)O.
What is the InChIKey of 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid?
The InChIKey is VWLPFKOIGIDXNX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-15-10(14)8(2)11-7-5-4-6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid?
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 87941374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).