N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

C10H18N2O3 — CID 163459489

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(O)CC1)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-6(9(11)14)12-10(15)7-2-4-8(13)5-3-7/h6-8,13H,2-5H2,1H3,(H2,11,14)(H,12,15)/t6-,7?,8?/m1/s1
InChIKeyBNJFHFITMMPKOH-JECWYVHBSA-N
MW214.26 g/mol
LogP-0.47
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 163459489) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID163459489
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(O)CC1)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-6(9(11)14)12-10(15)7-2-4-8(13)5-3-7/h6-8,13H,2-5H2,1H3,(H2,11,14)(H,12,15)/t6-,7?,8?/m1/s1
InChIKeyBNJFHFITMMPKOH-JECWYVHBSA-N
XLogP-0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide (CID 163459489) is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCC(O)CC1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is BNJFHFITMMPKOH-JECWYVHBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(9(11)14)12-10(15)7-2-4-8(13)5-3-7/h6-8,13H,2-5H2,1H3,(H2,11,14)(H,12,15)/t6-,7?,8?/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 163459489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).