[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid

C16H29N3O4 — CID 69181719

IUPAC[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NC[C@H](C(=O)NC1CCCNCC1O)C1CCCCC1
InChIInChI=1S/C16H29N3O4/c20-14-10-17-8-4-7-13(14)19-15(21)12(9-18-16(22)23)11-5-2-1-3-6-11/h11-14,17-18,20H,1-10H2,(H,19,21)(H,22,23)/t12-,13?,14?/m0/s1
InChIKeyRYTOQJKWWYRKKM-HSBZDZAISA-N
MW327.43 g/mol
LogP0.68
Rot. Bonds5

About [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid

[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69181719) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid
PubChem CID69181719
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NC[C@H](C(=O)NC1CCCNCC1O)C1CCCCC1
InChIInChI=1S/C16H29N3O4/c20-14-10-17-8-4-7-13(14)19-15(21)12(9-18-16(22)23)11-5-2-1-3-6-11/h11-14,17-18,20H,1-10H2,(H,19,21)(H,22,23)/t12-,13?,14?/m0/s1
InChIKeyRYTOQJKWWYRKKM-HSBZDZAISA-N
XLogP0.68
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyanomethylamino)-2-cyclohexyl-3-oxopropyl]carbamic acid
CID 57318228
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
[(2R)-2-azido-2-cyclohexylethyl]carbamic acid
CID 135348107
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
benzyl N-[(3S)-5-[(3-hydroxyazepan-4-yl)amino]-3-methyl-5-oxopentyl]carbamate
CID 70088963
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 107222031
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748
[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid
CID 87814087
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213053
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid (CID 69181719) is [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid is O=C(O)NC[C@H](C(=O)NC1CCCNCC1O)C1CCCCC1.
What is the InChIKey of [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is RYTOQJKWWYRKKM-HSBZDZAISA-N. The full InChI is InChI=1S/C16H29N3O4/c20-14-10-17-8-4-7-13(14)19-15(21)12(9-18-16(22)23)11-5-2-1-3-6-11/h11-14,17-18,20H,1-10H2,(H,19,21)(H,22,23)/t12-,13?,14?/m0/s1.
What are the key properties of [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid?
[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid has a molecular weight of 327.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).