2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid

C10H18N4O5 — CID 114162453

IUPAC2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
SMILESNC(=O)CCCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c11-7(15)3-1-2-4-12-10(19)14-5-8(16)13-6-9(17)18/h1-6H2,(H2,11,15)(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyBZLIPDDOAURIPV-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.86
Rot. Bonds9

About 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 114162453) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID114162453
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
SMILESNC(=O)CCCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c11-7(15)3-1-2-4-12-10(19)14-5-8(16)13-6-9(17)18/h1-6H2,(H2,11,15)(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyBZLIPDDOAURIPV-UHFFFAOYSA-N
XLogP-1.86
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
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-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946
2-[16-(ethylcarbamoylamino)hexadecanoylamino]acetic acid
CID 90973435
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
2-(heptylcarbamoylamino)acetic acid
CID 43129060
6-(octylcarbamoylamino)hexanamide
CID 11833003
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid (CID 114162453) is 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid is NC(=O)CCCCNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is BZLIPDDOAURIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c11-7(15)3-1-2-4-12-10(19)14-5-8(16)13-6-9(17)18/h1-6H2,(H2,11,15)(H,13,16)(H,17,18)(H2,12,14,19).
What are the key properties of 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of -1.86, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 114162453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).