methyl 2-formamido-3-hydroxypropanoate

C5H9NO4 — CID 20784540

IUPACmethyl 2-formamido-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC=O
InChIInChI=1S/C5H9NO4/c1-10-5(9)4(2-7)6-3-8/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyIZVCPGPZIFSYPN-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.73
Rot. Bonds4

About methyl 2-formamido-3-hydroxypropanoate

methyl 2-formamido-3-hydroxypropanoate (PubChem CID 20784540) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl 2-formamido-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-formamido-3-hydroxypropanoate
PubChem CID20784540
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namemethyl 2-formamido-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC=O
InChIInChI=1S/C5H9NO4/c1-10-5(9)4(2-7)6-3-8/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyIZVCPGPZIFSYPN-UHFFFAOYSA-N
XLogP-1.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate
CID 170759237
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
methyl 2-formamido-3-phenylpropanoate
CID 595529
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-formamido-5-[(6-hydroxy-5-methylhexyl)amino]-5-oxopentanoate
CID 170956290
methyl (2R)-2-formamidopropanoate
CID 11651157
2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate
CID 155693483
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
methyl 2-(cyanoamino)-3-hydroxypropanoate
CID 107856866
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
2-formamidobutanamide
CID 55291106

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-3-hydroxypropanoate?
The IUPAC name of methyl 2-formamido-3-hydroxypropanoate (CID 20784540) is methyl 2-formamido-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-formamido-3-hydroxypropanoate?
The canonical SMILES for methyl 2-formamido-3-hydroxypropanoate is COC(=O)C(CO)NC=O.
What is the InChIKey of methyl 2-formamido-3-hydroxypropanoate?
The InChIKey is IZVCPGPZIFSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-10-5(9)4(2-7)6-3-8/h3-4,7H,2H2,1H3,(H,6,8).
What are the key properties of methyl 2-formamido-3-hydroxypropanoate?
methyl 2-formamido-3-hydroxypropanoate has a molecular weight of 147.13 g/mol, XLogP of -1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-3-hydroxypropanoate is sourced from PubChem (CID 20784540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).