benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C24H29N3O3 — CID 166203065

IUPACbenzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CCN(C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C24H29N3O3/c28-23(25-20-13-14-27(16-20)21-11-12-21)22(15-18-7-3-1-4-8-18)26-24(29)30-17-19-9-5-2-6-10-19/h1-10,20-22H,11-17H2,(H,25,28)(H,26,29)
InChIKeyNQDYZPLERNINDZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.88
Rot. Bonds8

About benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 166203065) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID166203065
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Namebenzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CCN(C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C24H29N3O3/c28-23(25-20-13-14-27(16-20)21-11-12-21)22(15-18-7-3-1-4-8-18)26-24(29)30-17-19-9-5-2-6-10-19/h1-10,20-22H,11-17H2,(H,25,28)(H,26,29)
InChIKeyNQDYZPLERNINDZ-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 56569206
tert-butyl 4-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylate
CID 23624856
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
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benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2S)-6-amino-1-(cyclopentylamino)-1-oxohexan-2-yl]carbamate
CID 140895488
benzyl N-[(2S)-1-cyclohexyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57308056
benzyl (2S)-5-(cyclopropylamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 155726369

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 166203065) is benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)NC1CCN(C2CC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is NQDYZPLERNINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23(25-20-13-14-27(16-20)21-11-12-21)22(15-18-7-3-1-4-8-18)26-24(29)30-17-19-9-5-2-6-10-19/h1-10,20-22H,11-17H2,(H,25,28)(H,26,29).
What are the key properties of benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 166203065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).