2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid

C14H29N3O3 — CID 107426058

IUPAC2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
SMILESCCC(CC)NC(=O)C(C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H29N3O3/c1-6-12(7-2)15-14(20)11(3)17(10-13(18)19)9-8-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyFNPBODCJSWLNGH-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.63
Rot. Bonds10

About 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid (PubChem CID 107426058) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
PubChem CID107426058
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
SMILESCCC(CC)NC(=O)C(C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H29N3O3/c1-6-12(7-2)15-14(20)11(3)17(10-13(18)19)9-8-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyFNPBODCJSWLNGH-UHFFFAOYSA-N
XLogP0.63
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[cyclopropylmethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 43656844
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425598
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 79269555
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
CID 107426142
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79284351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid (CID 107426058) is 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid is CCC(CC)NC(=O)C(C)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
The InChIKey is FNPBODCJSWLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-6-12(7-2)15-14(20)11(3)17(10-13(18)19)9-8-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid has a molecular weight of 287.40 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 107426058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).