2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C20H32N2O3 — CID 129343798

IUPAC2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1
InChIInChI=1S/C20H32N2O3/c23-19(24)12-22(11-13-6-7-13)16-8-15(9-16)21-20(25)18-10-17(18)14-4-2-1-3-5-14/h13-18H,1-12H2,(H,21,25)(H,23,24)/t15?,16?,17-,18+/m0/s1
InChIKeyXNCVLAIGMWPMGP-ZGUYJTEBSA-N
MW348.49 g/mol
LogP2.65
Rot. Bonds8

About 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 129343798) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID129343798
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1
InChIInChI=1S/C20H32N2O3/c23-19(24)12-22(11-13-6-7-13)16-8-15(9-16)21-20(25)18-10-17(18)14-4-2-1-3-5-14/h13-18H,1-12H2,(H,21,25)(H,23,24)/t15?,16?,17-,18+/m0/s1
InChIKeyXNCVLAIGMWPMGP-ZGUYJTEBSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 128973904
N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
CID 119474847
2-[cyclopropylmethyl-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]cyclobutyl]amino]acetic acid
CID 129342654
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
CID 129334460
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[[3-[[cyclohexylmethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025505
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
CID 122041478
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 129343798) is 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1.
What is the InChIKey of 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is XNCVLAIGMWPMGP-ZGUYJTEBSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-19(24)12-22(11-13-6-7-13)16-8-15(9-16)21-20(25)18-10-17(18)14-4-2-1-3-5-14/h13-18H,1-12H2,(H,21,25)(H,23,24)/t15?,16?,17-,18+/m0/s1.
What are the key properties of 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 348.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 129343798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).