methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate

C12H23NO4 — CID 10634108

IUPACmethyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
SMILESCOC(=O)N[C@@H](C(C)C)[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C12H23NO4/c1-7(2)9(11(14)16-5)10(8(3)4)13-12(15)17-6/h7-10H,1-6H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyRNUXFDQMWDNYLB-ZJUUUORDSA-N
MW245.32 g/mol
LogP1.81
Rot. Bonds5

About methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate

methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate (PubChem CID 10634108) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
PubChem CID10634108
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
SMILESCOC(=O)N[C@@H](C(C)C)[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C12H23NO4/c1-7(2)9(11(14)16-5)10(8(3)4)13-12(15)17-6/h7-10H,1-6H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyRNUXFDQMWDNYLB-ZJUUUORDSA-N
XLogP1.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
CID 62397378
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate?
The IUPAC name of methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate (CID 10634108) is methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate is COC(=O)N[C@@H](C(C)C)[C@H](C(=O)OC)C(C)C.
What is the InChIKey of methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate?
The InChIKey is RNUXFDQMWDNYLB-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23NO4/c1-7(2)9(11(14)16-5)10(8(3)4)13-12(15)17-6/h7-10H,1-6H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate?
methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate has a molecular weight of 245.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 10634108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).