2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 164549463

IUPAC2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(Cc1cnc[nH]1)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c15-12(5-10-7-16-8-18-10)13(19)17-6-9-3-1-2-4-11(9)14(20)21/h7-9,11-12H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyVEXUAHZASIJXNP-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.29
Rot. Bonds6

About 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 164549463) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID164549463
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(Cc1cnc[nH]1)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c15-12(5-10-7-16-8-18-10)13(19)17-6-9-3-1-2-4-11(9)14(20)21/h7-9,11-12H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyVEXUAHZASIJXNP-UHFFFAOYSA-N
XLogP0.29
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549538
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide
CID 11550389
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 155230784
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 174499457

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 164549463) is 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is NC(Cc1cnc[nH]1)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VEXUAHZASIJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c15-12(5-10-7-16-8-18-10)13(19)17-6-9-3-1-2-4-11(9)14(20)21/h7-9,11-12H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 164549463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).