[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid

C7H14N2O4 — CID 141070387

IUPAC[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid
SMILESCON(C(=O)O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O4/c1-5(6(10)8(2)3)9(13-4)7(11)12/h5H,1-4H3,(H,11,12)/t5-/m0/s1
InChIKeyNNRFAKNMFFBKPC-YFKPBYRVSA-N
MW190.20 g/mol
LogP0.00
Rot. Bonds3

About [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid (PubChem CID 141070387) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid
PubChem CID141070387
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid
SMILESCON(C(=O)O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O4/c1-5(6(10)8(2)3)9(13-4)7(11)12/h5H,1-4H3,(H,11,12)/t5-/m0/s1
InChIKeyNNRFAKNMFFBKPC-YFKPBYRVSA-N
XLogP0.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(dimethylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetic acid
CID 60838093
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
CID 55208158
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425598
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
dimethoxysilane;bis(dimethylcarbamic acid)
CID 173419025
2-(dibutylamino)-N,N-dimethylpropanamide
CID 162754139
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid?
The IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid (CID 141070387) is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid.
What is the SMILES notation for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid?
The canonical SMILES for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid is CON(C(=O)O)[C@@H](C)C(=O)N(C)C.
What is the InChIKey of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid?
The InChIKey is NNRFAKNMFFBKPC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(6(10)8(2)3)9(13-4)7(11)12/h5H,1-4H3,(H,11,12)/t5-/m0/s1.
What are the key properties of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid?
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methoxycarbamic acid is sourced from PubChem (CID 141070387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).