[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid

C9H18N2O3 — CID 68708714

IUPAC[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
SMILESCN(C[C@H](N)CC1CCOC1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(9(12)13)5-8(10)4-7-2-3-14-6-7/h7-8H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyYEQRTIIKPGLSMA-BRFYHDHCSA-N
MW202.25 g/mol
LogP0.35
Rot. Bonds4

About [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid

[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid (PubChem CID 68708714) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
PubChem CID68708714
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
SMILESCN(C[C@H](N)CC1CCOC1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(9(12)13)5-8(10)4-7-2-3-14-6-7/h7-8H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyYEQRTIIKPGLSMA-BRFYHDHCSA-N
XLogP0.35
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(oxolan-3-yl)pentanoic acid
CID 62961692
5-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103986842
2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
CID 62314712
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
2-amino-N-methyl-N-(oxolan-3-ylmethyl)pentanamide;hydrochloride
CID 119341303
5-ethylsulfonyl-1-(oxolan-3-yl)pentan-2-amine
CID 103986638
N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate
CID 154458537
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid?
The IUPAC name of [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid (CID 68708714) is [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid.
What is the SMILES notation for [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid?
The canonical SMILES for [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid is CN(C[C@H](N)CC1CCOC1)C(=O)O.
What is the InChIKey of [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid?
The InChIKey is YEQRTIIKPGLSMA-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11(9(12)13)5-8(10)4-7-2-3-14-6-7/h7-8H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m1/s1.
What are the key properties of [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid?
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid has a molecular weight of 202.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid is sourced from PubChem (CID 68708714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).