[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

C21H25N3O3 — CID 67666611

IUPAC[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
SMILESNCC(Cc1c[nH]c2ccccc12)OC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c22-12-18(11-16-13-23-20-9-5-4-8-19(16)20)27-21(26)24-17(14-25)10-15-6-2-1-3-7-15/h1-9,13,17-18,23,25H,10-12,14,22H2,(H,24,26)
InChIKeyDXULDQVYAOBAPM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.37
Rot. Bonds8

About [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate (PubChem CID 67666611) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
PubChem CID67666611
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
SMILESNCC(Cc1c[nH]c2ccccc12)OC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c22-12-18(11-16-13-23-20-9-5-4-8-19(16)20)27-21(26)24-17(14-25)10-15-6-2-1-3-7-15/h1-9,13,17-18,23,25H,10-12,14,22H2,(H,24,26)
InChIKeyDXULDQVYAOBAPM-UHFFFAOYSA-N
XLogP2.37
TPSA100.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
[(2S)-2-[[(2S)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2S)-2-benzylpent-4-enoate
CID 24893628
(3R)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 11490965
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 19947499
benzyl N-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropyl]carbamate
CID 11763458
2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 174791957
9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid
CID 129277382
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
(2S)-2-(benzylcarbamoylamino)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylpentanamide
CID 70001543

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The IUPAC name of [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate (CID 67666611) is [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate is NCC(Cc1c[nH]c2ccccc12)OC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The InChIKey is DXULDQVYAOBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-12-18(11-16-13-23-20-9-5-4-8-19(16)20)27-21(26)24-17(14-25)10-15-6-2-1-3-7-15/h1-9,13,17-18,23,25H,10-12,14,22H2,(H,24,26).
What are the key properties of [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate has a molecular weight of 367.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 67666611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).