2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid

C10H18N2O4 — CID 61435873

IUPAC2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H18N2O4/c1-11(6-8-4-3-5-16-8)10(15)12(2)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNTCRBVCNMJKDQE-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.23
Rot. Bonds4

About 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid

2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 61435873) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID61435873
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H18N2O4/c1-11(6-8-4-3-5-16-8)10(15)12(2)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNTCRBVCNMJKDQE-UHFFFAOYSA-N
XLogP0.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid (CID 61435873) is 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)N(C)CC1CCCO1.
What is the InChIKey of 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is NTCRBVCNMJKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11(6-8-4-3-5-16-8)10(15)12(2)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid?
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61435873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).