2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid

C9H17NO3 — CID 21201067

IUPAC2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid
SMILESCCC/C=C(\C)NC(CO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-5-7(2)10-8(6-11)9(12)13/h5,8,10-11H,3-4,6H2,1-2H3,(H,12,13)/b7-5+
InChIKeyCLZKCMIWTKIDCI-FNORWQNLSA-N
MW187.24 g/mol
LogP0.73
Rot. Bonds6

About 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid

2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid (PubChem CID 21201067) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid
PubChem CID21201067
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid
SMILESCCC/C=C(\C)NC(CO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-5-7(2)10-8(6-11)9(12)13/h5,8,10-11H,3-4,6H2,1-2H3,(H,12,13)/b7-5+
InChIKeyCLZKCMIWTKIDCI-FNORWQNLSA-N
XLogP0.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
sodium;(2S)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-3-hydroxypropanoic acid;hydride
CID 173434114
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid
CID 175812612
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
5-amino-2-[[(E)-2-methylhex-2-enoyl]amino]-5-oxopentanoic acid
CID 90240667
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid (CID 21201067) is 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid is CCC/C=C(\C)NC(CO)C(=O)O.
What is the InChIKey of 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid?
The InChIKey is CLZKCMIWTKIDCI-FNORWQNLSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-5-7(2)10-8(6-11)9(12)13/h5,8,10-11H,3-4,6H2,1-2H3,(H,12,13)/b7-5+.
What are the key properties of 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid?
2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 21201067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).