methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate

C10H19ClNO3P — CID 102239498

IUPACmethyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate
SMILESC=CCN([C@H](C(=O)OC)C(C)C)P(C)(=O)Cl
InChIInChI=1S/C10H19ClNO3P/c1-6-7-12(16(5,11)14)9(8(2)3)10(13)15-4/h6,8-9H,1,7H2,2-5H3/t9-,16?/m0/s1
InChIKeyUYICJSBRPVBSOM-XUOZKRPMSA-N
MW267.69 g/mol
LogP2.73
Rot. Bonds6

About methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate

methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate (PubChem CID 102239498) has the molecular formula C10H19ClNO3P and a molecular weight of 267.69 g/mol. Its IUPAC name is methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate
PubChem CID102239498
Molecular FormulaC10H19ClNO3P
Molecular Weight267.69 g/mol
Exact Mass267.08
IUPAC Namemethyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate
SMILESC=CCN([C@H](C(=O)OC)C(C)C)P(C)(=O)Cl
InChIInChI=1S/C10H19ClNO3P/c1-6-7-12(16(5,11)14)9(8(2)3)10(13)15-4/h6,8-9H,1,7H2,2-5H3/t9-,16?/m0/s1
InChIKeyUYICJSBRPVBSOM-XUOZKRPMSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate (CID 102239498) is methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate is C=CCN([C@H](C(=O)OC)C(C)C)P(C)(=O)Cl.
What is the InChIKey of methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate?
The InChIKey is UYICJSBRPVBSOM-XUOZKRPMSA-N. The full InChI is InChI=1S/C10H19ClNO3P/c1-6-7-12(16(5,11)14)9(8(2)3)10(13)15-4/h6,8-9H,1,7H2,2-5H3/t9-,16?/m0/s1.
What are the key properties of methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate?
methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate has a molecular weight of 267.69 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[chloro(methyl)phosphoryl]-prop-2-enylamino]-3-methylbutanoate is sourced from PubChem (CID 102239498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).