2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine

C10H22N2O4 — CID 142211328

IUPAC2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
SMILESCCCNC.CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO4.C4H11N/c1-2-7(3-5(8)9)4-6(10)11;1-3-4-5-2/h2-4H2,1H3,(H,8,9)(H,10,11);5H,3-4H2,1-2H3
InChIKeyMNPVKRCADYUECV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.09
Rot. Bonds7

About 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine

2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine (PubChem CID 142211328) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
PubChem CID142211328
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
SMILESCCCNC.CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO4.C4H11N/c1-2-7(3-5(8)9)4-6(10)11;1-3-4-5-2/h2-4H2,1H3,(H,8,9)(H,10,11);5H,3-4H2,1-2H3
InChIKeyMNPVKRCADYUECV-UHFFFAOYSA-N
XLogP0.09
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143677754
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CID 60712574
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CID 118019685
2-[2,2-difluoroethyl(ethyl)amino]acetic acid
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buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
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CID 61011883
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
tris(2-[bis(carboxymethyl)amino]acetic acid);N-tetradecyltetradecan-1-amine
CID 158230868
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
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2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine?
The IUPAC name of 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine (CID 142211328) is 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine.
What is the SMILES notation for 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine?
The canonical SMILES for 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine is CCCNC.CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine?
The InChIKey is MNPVKRCADYUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C4H11N/c1-2-7(3-5(8)9)4-6(10)11;1-3-4-5-2/h2-4H2,1H3,(H,8,9)(H,10,11);5H,3-4H2,1-2H3.
What are the key properties of 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine?
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine is sourced from PubChem (CID 142211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).