propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate

C17H24BrN3O4 — CID 71526193

IUPACpropan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate
SMILESCCC[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C17H24BrN3O4/c1-4-5-14(16(23)19-10-15(22)25-11(2)3)21-17(24)20-13-8-6-12(18)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,19,23)(H2,20,21,24)/t14-/m0/s1
InChIKeyDVNAAJJNFZBNOH-AWEZNQCLSA-N
MW414.30 g/mol
LogP2.81
Rot. Bonds8

About propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate

propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate (PubChem CID 71526193) has the molecular formula C17H24BrN3O4 and a molecular weight of 414.30 g/mol. Its IUPAC name is propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate
PubChem CID71526193
Molecular FormulaC17H24BrN3O4
Molecular Weight414.30 g/mol
Exact Mass413.10
IUPAC Namepropan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate
SMILESCCC[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C17H24BrN3O4/c1-4-5-14(16(23)19-10-15(22)25-11(2)3)21-17(24)20-13-8-6-12(18)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,19,23)(H2,20,21,24)/t14-/m0/s1
InChIKeyDVNAAJJNFZBNOH-AWEZNQCLSA-N
XLogP2.81
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate 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

((4-Bromophenyl)carbamoyl)-L-leucylglycine
CID 71526099
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-N-[(3-hydroxy-1,2-oxazol-5-yl)methyl]-4-methylpentanamide
CID 71811752
2-{[(2S)-2-{[(4-bromophenyl)carbamoyl] amino}-4-methylpentanoyl]amino}-2-methylpropanoic acid
CID 71525458
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylamino]-acetic acid ethyl ester
CID 2833569
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methyl-N-(2-oxopropyl)pentanamide
CID 71526011
(2S)-N-(2-amino-2-oxoethyl)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanamide
CID 71526098
Ethyl 2-(N-(4-bromophenyl)-2-morpholinoacetamido)acetate
CID 654116
[2-(4-Bromoanilino)-2-oxoethyl] 2-acetamidopropanoate
CID 2894495
(S)-2-[3-(3-Bromo-phenyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 12004611
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide
CID 162656471
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 162658091
(S)-2-[3-(3-Bromo-phenyl)-ureido]-propionic acid methyl ester
CID 939623

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate (CID 71526193) is propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate is CCC[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate?
The InChIKey is DVNAAJJNFZBNOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24BrN3O4/c1-4-5-14(16(23)19-10-15(22)25-11(2)3)21-17(24)20-13-8-6-12(18)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,19,23)(H2,20,21,24)/t14-/m0/s1.
What are the key properties of propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate?
propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate has a molecular weight of 414.30 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]acetate is sourced from PubChem (CID 71526193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).