[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid

C8H16N2O4 — CID 146636282

IUPAC[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid
SMILESCOCO[C@H]1C[C@@H](N)C[C@H]1NC(=O)O
InChIInChI=1S/C8H16N2O4/c1-13-4-14-7-3-5(9)2-6(7)10-8(11)12/h5-7,10H,2-4,9H2,1H3,(H,11,12)/t5-,6+,7-/m0/s1
InChIKeyKTNYNPHTVNKGPW-XVMARJQXSA-N
MW204.23 g/mol
LogP-0.27
Rot. Bonds4

About [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid

[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid (PubChem CID 146636282) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid
PubChem CID146636282
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid
SMILESCOCO[C@H]1C[C@@H](N)C[C@H]1NC(=O)O
InChIInChI=1S/C8H16N2O4/c1-13-4-14-7-3-5(9)2-6(7)10-8(11)12/h5-7,10H,2-4,9H2,1H3,(H,11,12)/t5-,6+,7-/m0/s1
InChIKeyKTNYNPHTVNKGPW-XVMARJQXSA-N
XLogP-0.27
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid
CID 69286669
(2-methoxycyclopropyl)carbamic acid
CID 91613377
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
CID 146636200
[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 137480787
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
cis-(1R,3S)-3-(methoxymethoxy)cyclopentan-1-amine
CID 163636034
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate
CID 69240437
[(1S,3R,4R)-4-(hydroxymethyl)-3-methoxycyclohexyl]carbamic acid
CID 90107864
[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
CID 118119974
benzyl N-[(1R,3S,4S)-3-(methoxymethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbamate;(1R,3S,4S)-3-(methoxymethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 160677016

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid?
The IUPAC name of [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid (CID 146636282) is [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid is COCO[C@H]1C[C@@H](N)C[C@H]1NC(=O)O.
What is the InChIKey of [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid?
The InChIKey is KTNYNPHTVNKGPW-XVMARJQXSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-13-4-14-7-3-5(9)2-6(7)10-8(11)12/h5-7,10H,2-4,9H2,1H3,(H,11,12)/t5-,6+,7-/m0/s1.
What are the key properties of [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid?
[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid has a molecular weight of 204.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid is sourced from PubChem (CID 146636282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).