2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid

C11H21N3O5 — CID 82943515

IUPAC2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCCOCCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-5-19-6-3-4-12-11(18)14-7-9(15)13-8-10(16)17/h2-8H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyCNYMLZFTUBCTRJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.70
Rot. Bonds10

About 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 82943515) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID82943515
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCCOCCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-5-19-6-3-4-12-11(18)14-7-9(15)13-8-10(16)17/h2-8H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyCNYMLZFTUBCTRJ-UHFFFAOYSA-N
XLogP-0.70
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.70
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

2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
2-(heptylcarbamoylamino)acetic acid
CID 43129060
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid (CID 82943515) is 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid is CCCOCCCNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is CNYMLZFTUBCTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-2-5-19-6-3-4-12-11(18)14-7-9(15)13-8-10(16)17/h2-8H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 275.30 g/mol, XLogP of -0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 82943515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).