[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

C15H25N3O5 — CID 51617519

IUPAC[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C15H25N3O5/c1-8(16-13(21)15(3,4)5)12(20)23-9(2)11(19)18-14(22)17-10-6-7-10/h8-10H,6-7H2,1-5H3,(H,16,21)(H2,17,18,19,22)/t8-,9+/m0/s1
InChIKeyILWIURODWWZIND-DTWKUNHWSA-N
MW327.38 g/mol
LogP0.46
Rot. Bonds5

About [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 51617519) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID51617519
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C15H25N3O5/c1-8(16-13(21)15(3,4)5)12(20)23-9(2)11(19)18-14(22)17-10-6-7-10/h8-10H,6-7H2,1-5H3,(H,16,21)(H2,17,18,19,22)/t8-,9+/m0/s1
InChIKeyILWIURODWWZIND-DTWKUNHWSA-N
XLogP0.46
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate with MolForge

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307018
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738158
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 55936232
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CID 25464286
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
1-O-tert-butyl 4-O-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 8924588
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate (CID 51617519) is [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate is C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is ILWIURODWWZIND-DTWKUNHWSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-8(16-13(21)15(3,4)5)12(20)23-9(2)11(19)18-14(22)17-10-6-7-10/h8-10H,6-7H2,1-5H3,(H,16,21)(H2,17,18,19,22)/t8-,9+/m0/s1.
What are the key properties of [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 327.38 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 51617519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).