methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate

C15H21N3O6 — CID 101227266

IUPACmethyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O6/c1-23-13(20)9-17-18-14(21)12(19)7-8-16-15(22)24-10-11-5-3-2-4-6-11/h2-6,12,17,19H,7-10H2,1H3,(H,16,22)(H,18,21)
InChIKeyVJFMXZRFUYWRGA-UHFFFAOYSA-N
MW339.35 g/mol
LogP-0.54
Rot. Bonds9

About methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate

methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate (PubChem CID 101227266) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate
PubChem CID101227266
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Namemethyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O6/c1-23-13(20)9-17-18-14(21)12(19)7-8-16-15(22)24-10-11-5-3-2-4-6-11/h2-6,12,17,19H,7-10H2,1H3,(H,16,22)(H,18,21)
InChIKeyVJFMXZRFUYWRGA-UHFFFAOYSA-N
XLogP-0.54
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate
CID 10968354
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
methyl 2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
CID 13372687
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
methyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 53316725
methyl 2-[[2-[[(2R)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]acetate
CID 98141613
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
methyl 2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]ethanethioyl]amino]ethanethioyl]amino]acetate
CID 102434309
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
ethyl 2-[2-[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]hydrazinyl]acetate
CID 10992887

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate?
The IUPAC name of methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate (CID 101227266) is methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate?
The canonical SMILES for methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate is COC(=O)CNNC(=O)C(O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate?
The InChIKey is VJFMXZRFUYWRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-23-13(20)9-17-18-14(21)12(19)7-8-16-15(22)24-10-11-5-3-2-4-6-11/h2-6,12,17,19H,7-10H2,1H3,(H,16,22)(H,18,21).
What are the key properties of methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate?
methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate has a molecular weight of 339.35 g/mol, XLogP of -0.54, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate is sourced from PubChem (CID 101227266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).