2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate

C10H17NO3 — CID 175101609

IUPAC2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
SMILESC=C(C)C(=O)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)5-8(11)10(13)14-9(12)7(3)4/h6,8H,3,5,11H2,1-2,4H3/t8-/m0/s1
InChIKeyFMJFWAWRLQUMBT-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds4

About 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate

2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate (PubChem CID 175101609) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
PubChem CID175101609
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
SMILESC=C(C)C(=O)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)5-8(11)10(13)14-9(12)7(3)4/h6,8H,3,5,11H2,1-2,4H3/t8-/m0/s1
InChIKeyFMJFWAWRLQUMBT-QMMMGPOBSA-N
XLogP1.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
CID 164753988
CID 164753988
4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate
CID 59189148
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
2-methylprop-2-enoyl 2-hydroxypentanoate
CID 175550254
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate (CID 175101609) is 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate is C=C(C)C(=O)OC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate?
The InChIKey is FMJFWAWRLQUMBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)5-8(11)10(13)14-9(12)7(3)4/h6,8H,3,5,11H2,1-2,4H3/t8-/m0/s1.
What are the key properties of 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate?
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate has a molecular weight of 199.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 175101609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).