propyl 2-(prop-2-enoxycarbonylamino)propanoate

C10H17NO4 — CID 6422686

IUPACpropyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-14-9(12)8(3)11-10(13)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,13)
InChIKeyNKBIFLFRFVHHRS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds6

About propyl 2-(prop-2-enoxycarbonylamino)propanoate

propyl 2-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 6422686) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is propyl 2-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Namepropyl 2-(prop-2-enoxycarbonylamino)propanoate
PubChem CID6422686
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namepropyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-14-9(12)8(3)11-10(13)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,13)
InChIKeyNKBIFLFRFVHHRS-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-en-1-yl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
CID 90160712
l-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
N-t-Boc-L-serine Allyl Ester
CID 11356996
(S)-3-Allyloxy-2-tert-butoxycarbonylamino-propionic acid methyl ester
CID 57846413
2-Acryloyloxyethyl urethane
CID 87964813
ethyl (3R)-4,4,4-trifluoro-3-methyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 118122148
Ethyl 4,4,4-trifluoro-3-methyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 123157006
Ethyl 4,4,4-trifluoro-2-(prop-2-enoxycarbonylamino)butanoate
CID 126536712
Ethyl (3R)-N-[(allyloxy)carbonyl]-4,4,4-trifluorovalinate
CID 131735216
ethyl (2S)-4,4,4-trifluoro-3-methyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 141386562
l-Alanine, N-allyloxycarbonyl-, nonyl ester
CID 6422694
l-Alanine, N-allyloxycarbonyl-, decyl ester
CID 6422695

Frequently Asked Questions

What is the IUPAC name of propyl 2-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of propyl 2-(prop-2-enoxycarbonylamino)propanoate (CID 6422686) is propyl 2-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for propyl 2-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for propyl 2-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NC(C)C(=O)OCCC.
What is the InChIKey of propyl 2-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is NKBIFLFRFVHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-14-9(12)8(3)11-10(13)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,13).
What are the key properties of propyl 2-(prop-2-enoxycarbonylamino)propanoate?
propyl 2-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 215.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 6422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).