[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid

C13H23N3O6 — CID 68663892

IUPAC[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NC[C@@H](NC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O6/c1-13(2,3)22-12(20)14-8-9(15-11(18)19)10(17)16-4-6-21-7-5-16/h9,15H,4-8H2,1-3H3,(H,14,20)(H,18,19)/t9-/m1/s1
InChIKeyBWAOFXRIBVHKBG-SECBINFHSA-N
MW317.34 g/mol
LogP0.01
Rot. Bonds4

About [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid

[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid (PubChem CID 68663892) has the molecular formula C13H23N3O6 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
PubChem CID68663892
Molecular FormulaC13H23N3O6
Molecular Weight317.34 g/mol
Exact Mass317.16
IUPAC Name[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NC[C@@H](NC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O6/c1-13(2,3)22-12(20)14-8-9(15-11(18)19)10(17)16-4-6-21-7-5-16/h9,15H,4-8H2,1-3H3,(H,14,20)(H,18,19)/t9-/m1/s1
InChIKeyBWAOFXRIBVHKBG-SECBINFHSA-N
XLogP0.01
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid 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

[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
tert-butyl N-[(2S)-3-(3,4-dihydroxyphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 22865435
tert-butyl N-[3-methyl-1-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110625600
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-[(2S)-3-(4-carbamothioylphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 22865535
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
CID 102730821
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-yl-3-oxopropyl]sulfonylmethyl 3-phenylpropanoate
CID 139609411
tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
CID 91120666
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
CID 59641605

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid (CID 68663892) is [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid is CC(C)(C)OC(=O)NC[C@@H](NC(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is BWAOFXRIBVHKBG-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O6/c1-13(2,3)22-12(20)14-8-9(15-11(18)19)10(17)16-4-6-21-7-5-16/h9,15H,4-8H2,1-3H3,(H,14,20)(H,18,19)/t9-/m1/s1.
What are the key properties of [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 317.34 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 68663892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).