methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid

C10H18N2O5 — CID 87845937

IUPACmethyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid
SMILESCN(C[C@H](C=O)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-8(14)11-7(6-13)5-12(4)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,15,16)/t7-/m1/s1
InChIKeyKCPAODURCVNQKD-SSDOTTSWSA-N
MW246.26 g/mol
LogP0.69
Rot. Bonds4

About methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid

methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid (PubChem CID 87845937) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid
PubChem CID87845937
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namemethyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid
SMILESCN(C[C@H](C=O)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-8(14)11-7(6-13)5-12(4)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,15,16)/t7-/m1/s1
InChIKeyKCPAODURCVNQKD-SSDOTTSWSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamate
CID 123979140
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 20684799
tert-butyl N-[1-(difluoromethoxy)-3-oxopropan-2-yl]carbamate
CID 174201322
tert-butyl N-(1-oxohex-4-en-2-yl)carbamate
CID 71437064
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 22961358
tert-butyl N-[(2S)-4-cyano-1-oxobutan-2-yl]carbamate
CID 45092144
[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113449
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
tert-butyl (7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 145043689
tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
CID 87517564
tert-butyl N-[1-(3-methyloxetan-3-yl)-3-oxopropan-2-yl]carbamate
CID 145422739

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid?
The IUPAC name of methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid (CID 87845937) is methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid?
The canonical SMILES for methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid is CN(C[C@H](C=O)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid?
The InChIKey is KCPAODURCVNQKD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,3)17-8(14)11-7(6-13)5-12(4)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,15,16)/t7-/m1/s1.
What are the key properties of methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid?
methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid has a molecular weight of 246.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 87845937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).