2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid

C14H27N3O4 — CID 114400930

IUPAC2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C14H27N3O4/c1-4-11(3)17(10-13(18)19)14(20)15-8-12-9-16(5-2)6-7-21-12/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyXRLUALRTBINHJN-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds7

About 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid

2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 114400930) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID114400930
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C14H27N3O4/c1-4-11(3)17(10-13(18)19)14(20)15-8-12-9-16(5-2)6-7-21-12/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyXRLUALRTBINHJN-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid (CID 114400930) is 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCC1CN(CC)CCO1.
What is the InChIKey of 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is XRLUALRTBINHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-11(3)17(10-13(18)19)14(20)15-8-12-9-16(5-2)6-7-21-12/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid?
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 114400930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).