2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid

C7H15N3O4 — CID 103262412

IUPAC2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
SMILESCOCC(NCCNC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-14-4-5(6(11)12)9-2-3-10-7(8)13/h5,9H,2-4H2,1H3,(H,11,12)(H3,8,10,13)
InChIKeyOQUCBCBWCNLYSB-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.66
Rot. Bonds7

About 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid

2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid (PubChem CID 103262412) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
PubChem CID103262412
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
SMILESCOCC(NCCNC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-14-4-5(6(11)12)9-2-3-10-7(8)13/h5,9H,2-4H2,1H3,(H,11,12)(H3,8,10,13)
InChIKeyOQUCBCBWCNLYSB-UHFFFAOYSA-N
XLogP-1.66
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234
3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
CID 103268606
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
3-methoxypropylurea
CID 2064040
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
CID 103250208
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
2-(3-aminopropylcarbamoylamino)-3-methoxypropanoic acid
CID 81085801
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid (CID 103262412) is 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid is COCC(NCCNC(N)=O)C(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid?
The InChIKey is OQUCBCBWCNLYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c1-14-4-5(6(11)12)9-2-3-10-7(8)13/h5,9H,2-4H2,1H3,(H,11,12)(H3,8,10,13).
What are the key properties of 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid?
2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103262412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).