2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H25N3O3 — CID 164549538

IUPAC2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C19H25N3O3/c20-16(9-13-11-21-17-8-4-3-6-14(13)17)18(23)22-10-12-5-1-2-7-15(12)19(24)25/h3-4,6,8,11-12,15-16,21H,1-2,5,7,9-10,20H2,(H,22,23)(H,24,25)
InChIKeyBKSGZYSSXYVDII-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.04
Rot. Bonds6

About 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 164549538) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID164549538
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C19H25N3O3/c20-16(9-13-11-21-17-8-4-3-6-14(13)17)18(23)22-10-12-5-1-2-7-15(12)19(24)25/h3-4,6,8,11-12,15-16,21H,1-2,5,7,9-10,20H2,(H,22,23)(H,24,25)
InChIKeyBKSGZYSSXYVDII-UHFFFAOYSA-N
XLogP2.04
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
(2S)-2-amino-3-(1H-indol-3-yl)-N-(thiolan-2-ylmethyl)propanamide
CID 80583421
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 103827664
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 119957436
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 164549538) is 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BKSGZYSSXYVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-16(9-13-11-21-17-8-4-3-6-14(13)17)18(23)22-10-12-5-1-2-7-15(12)19(24)25/h3-4,6,8,11-12,15-16,21H,1-2,5,7,9-10,20H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 164549538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).