[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate

C10H19NO3 — CID 174539008

IUPAC[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(O)CCN(C)C
InChIInChI=1S/C10H19NO3/c1-5-10(13)14-8(2)9(12)6-7-11(3)4/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyRMPUXJCZKFZHOO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.42
Rot. Bonds6

About [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate

[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate (PubChem CID 174539008) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate
PubChem CID174539008
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(O)CCN(C)C
InChIInChI=1S/C10H19NO3/c1-5-10(13)14-8(2)9(12)6-7-11(3)4/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyRMPUXJCZKFZHOO-UHFFFAOYSA-N
XLogP0.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174534571
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
[(2S,3R)-3-hydroxypent-4-en-2-yl] (4R,5S)-4-hydroxy-5-[(3R)-3-prop-2-enoyloxybutanoyl]oxyhexanoate
CID 24770706
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
5-methylhexan-2-yl prop-2-enoate
CID 151222941
[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl] prop-2-enoate
CID 89253768
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
CID 87224852
pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174792723

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate?
The IUPAC name of [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate (CID 174539008) is [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate.
What is the SMILES notation for [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate?
The canonical SMILES for [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate is C=CC(=O)OC(C)C(O)CCN(C)C.
What is the InChIKey of [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate?
The InChIKey is RMPUXJCZKFZHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-10(13)14-8(2)9(12)6-7-11(3)4/h5,8-9,12H,1,6-7H2,2-4H3.
What are the key properties of [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate?
[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate is sourced from PubChem (CID 174539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).