2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid

C15H26N2O3 — CID 79878621

IUPAC2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1(C)CCCCC1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)8-4-3-5-12(15)16-14(20)17(10-13(18)19)9-11-6-7-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySPNDNNGXQWITKI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 79878621) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID79878621
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1(C)CCCCC1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)8-4-3-5-12(15)16-14(20)17(10-13(18)19)9-11-6-7-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySPNDNNGXQWITKI-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
CID 114114298
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
CID 107164823
2-[(2,2-dimethylcyclopropyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 55147833
2-[cyclopropylmethyl-(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 81451507
2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid
CID 79852520
2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669638
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid (CID 79878621) is 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid is CC1(C)CCCCC1NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is SPNDNNGXQWITKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)8-4-3-5-12(15)16-14(20)17(10-13(18)19)9-11-6-7-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79878621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).