(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid

C7H11NO4 — CID 24812035

IUPAC(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)7(11)12-3-5(8)6(9)10/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1
InChIKeyLHGAZMVIDAELCQ-YFKPBYRVSA-N
MW173.17 g/mol
LogP-0.48
Rot. Bonds4

About (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid

(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid (PubChem CID 24812035) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
PubChem CID24812035
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)7(11)12-3-5(8)6(9)10/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1
InChIKeyLHGAZMVIDAELCQ-YFKPBYRVSA-N
XLogP-0.48
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181
2-(2-methylprop-2-enoyloxymethyl)butanedioic acid
CID 19370064
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
(2S)-2-[[2-[[(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoyl]amino]acetyl]amino]-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 164671313
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid (CID 24812035) is (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid is C=C(C)C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid?
The InChIKey is LHGAZMVIDAELCQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(2)7(11)12-3-5(8)6(9)10/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid?
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid is sourced from PubChem (CID 24812035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).