5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid

C17H24N4O3 — CID 91013760

IUPAC5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNC(=O)O
InChIInChI=1S/C17H24N4O3/c18-14(10-12-11-21-15-7-3-2-6-13(12)15)16(22)19-8-4-1-5-9-20-17(23)24/h2-3,6-7,11,14,20-21H,1,4-5,8-10,18H2,(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyRZRGCVIUWSZDQS-CQSZACIVSA-N
MW332.40 g/mol
LogP1.59
Rot. Bonds9

About 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid

5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid (PubChem CID 91013760) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
PubChem CID91013760
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNC(=O)O
InChIInChI=1S/C17H24N4O3/c18-14(10-12-11-21-15-7-3-2-6-13(12)15)16(22)19-8-4-1-5-9-20-17(23)24/h2-3,6-7,11,14,20-21H,1,4-5,8-10,18H2,(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyRZRGCVIUWSZDQS-CQSZACIVSA-N
XLogP1.59
TPSA120.24 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfinylpropyl)propanamide
CID 103827627
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid?
The IUPAC name of 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid (CID 91013760) is 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid?
The canonical SMILES for 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid is N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNC(=O)O.
What is the InChIKey of 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid?
The InChIKey is RZRGCVIUWSZDQS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-14(10-12-11-21-15-7-3-2-6-13(12)15)16(22)19-8-4-1-5-9-20-17(23)24/h2-3,6-7,11,14,20-21H,1,4-5,8-10,18H2,(H,19,22)(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid?
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid has a molecular weight of 332.40 g/mol, XLogP of 1.59, 9 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid is sourced from PubChem (CID 91013760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).