prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

C14H17NO4 — CID 11139956

IUPACprop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-3-9-18-13(16)11(2)15-14(17)19-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H,15,17)/t11-/m0/s1
InChIKeyCZLZCKPUFHZQFD-NSHDSACASA-N
MW263.29 g/mol
LogP2.03
Rot. Bonds6

About prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11139956) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID11139956
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameprop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-3-9-18-13(16)11(2)15-14(17)19-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H,15,17)/t11-/m0/s1
InChIKeyCZLZCKPUFHZQFD-NSHDSACASA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.03
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

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
prop-2-enyl (2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoate
CID 140590597
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
prop-2-enyl 2-benzamidopropanoate
CID 2910482
benzyl N-(6-methyl-5-oxohept-1-en-4-yl)carbamate
CID 10956741

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (CID 11139956) is prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is C=CCOC(=O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is CZLZCKPUFHZQFD-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-9-18-13(16)11(2)15-14(17)19-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 263.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11139956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).