methyl 4-amino-5-formyloxypentanoate

C7H13NO4 — CID 58299455

IUPACmethyl 4-amino-5-formyloxypentanoate
SMILESCOC(=O)CCC(N)COC=O
InChIInChI=1S/C7H13NO4/c1-11-7(10)3-2-6(8)4-12-5-9/h5-6H,2-4,8H2,1H3
InChIKeyKHBMWKHCRGGNID-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.56
Rot. Bonds6

About methyl 4-amino-5-formyloxypentanoate

methyl 4-amino-5-formyloxypentanoate (PubChem CID 58299455) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 4-amino-5-formyloxypentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-formyloxypentanoate
PubChem CID58299455
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 4-amino-5-formyloxypentanoate
SMILESCOC(=O)CCC(N)COC=O
InChIInChI=1S/C7H13NO4/c1-11-7(10)3-2-6(8)4-12-5-9/h5-6H,2-4,8H2,1H3
InChIKeyKHBMWKHCRGGNID-UHFFFAOYSA-N
XLogP-0.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-amino-5-formyloxypentanoate 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

methyl (4S)-4-aminohexanoate
CID 130019319
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
methyl 4-formyloxybutanoate
CID 88643911
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 5-amino-6-oxohexanoate
CID 78438770
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192
dimethyl 4-methylheptanedioate
CID 521222
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl 4-amino-5,5-difluoropentanoate;hydrochloride
CID 105455860

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-formyloxypentanoate?
The IUPAC name of methyl 4-amino-5-formyloxypentanoate (CID 58299455) is methyl 4-amino-5-formyloxypentanoate.
What is the SMILES notation for methyl 4-amino-5-formyloxypentanoate?
The canonical SMILES for methyl 4-amino-5-formyloxypentanoate is COC(=O)CCC(N)COC=O.
What is the InChIKey of methyl 4-amino-5-formyloxypentanoate?
The InChIKey is KHBMWKHCRGGNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-11-7(10)3-2-6(8)4-12-5-9/h5-6H,2-4,8H2,1H3.
What are the key properties of methyl 4-amino-5-formyloxypentanoate?
methyl 4-amino-5-formyloxypentanoate has a molecular weight of 175.18 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-formyloxypentanoate is sourced from PubChem (CID 58299455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).