benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate

C20H25N3O3 — CID 76777603

IUPACbenzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
SMILESCC(N)C(=O)NCC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-15(21)19(24)22-13-18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyJQZZZGQRGHGHJD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.99
Rot. Bonds8

About benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate

benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate (PubChem CID 76777603) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
PubChem CID76777603
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namebenzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
SMILESCC(N)C(=O)NCC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-15(21)19(24)22-13-18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyJQZZZGQRGHGHJD-UHFFFAOYSA-N
XLogP1.99
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[1-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 123366231
(2S)-2-[[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 101112207
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(2-methylpropanoylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10816585
(3S)-4-[[(1S)-1-aminoethyl]amino]-2-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 57083743
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 11764867
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
benzyl N-[1-phenyl-3-(trifluoromethylsulfanyl)propan-2-yl]carbamate
CID 75529808
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate (CID 76777603) is benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate is CC(N)C(=O)NCC(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate?
The InChIKey is JQZZZGQRGHGHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(21)19(24)22-13-18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 76777603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).