[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate

C16H19BrN2O4 — CID 8574591

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESC[C@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C16H19BrN2O4/c1-10(15(21)19-13-6-7-13)23-14(20)8-9-18-16(22)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21)/t10-/m0/s1
InChIKeyQNAWBSDLYVEMIT-JTQLQIEISA-N
MW383.24 g/mol
LogP1.78
Rot. Bonds7

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate (PubChem CID 8574591) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
PubChem CID8574591
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESC[C@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C16H19BrN2O4/c1-10(15(21)19-13-6-7-13)23-14(20)8-9-18-16(22)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21)/t10-/m0/s1
InChIKeyQNAWBSDLYVEMIT-JTQLQIEISA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate with MolForge

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789755
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574552
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574554
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128500
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764352
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate (CID 8574591) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate is C[C@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is QNAWBSDLYVEMIT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19BrN2O4/c1-10(15(21)19-13-6-7-13)23-14(20)8-9-18-16(22)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 383.24 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 8574591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).