2-amino-2-[3-(carbamoylamino)propoxy]acetic acid

C6H13N3O4 — CID 170319447

IUPAC2-amino-2-[3-(carbamoylamino)propoxy]acetic acid
SMILESNC(=O)NCCCOC(N)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-4(5(10)11)13-3-1-2-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKeySGWKJRLRSSZIRR-UHFFFAOYSA-N
MW191.19 g/mol
LogP-1.57
Rot. Bonds6

About 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid

2-amino-2-[3-(carbamoylamino)propoxy]acetic acid (PubChem CID 170319447) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(carbamoylamino)propoxy]acetic acid
PubChem CID170319447
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name2-amino-2-[3-(carbamoylamino)propoxy]acetic acid
SMILESNC(=O)NCCCOC(N)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-4(5(10)11)13-3-1-2-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKeySGWKJRLRSSZIRR-UHFFFAOYSA-N
XLogP-1.57
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropylurea
CID 2064040
3-butoxypropylurea
CID 115575573
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
3-[3-(ethylamino)propoxy]propylurea
CID 22381168
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
2-propan-2-yloxyethylurea
CID 22179539
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid?
The IUPAC name of 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid (CID 170319447) is 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid?
The canonical SMILES for 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid is NC(=O)NCCCOC(N)C(=O)O.
What is the InChIKey of 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid?
The InChIKey is SGWKJRLRSSZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-4(5(10)11)13-3-1-2-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12).
What are the key properties of 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid?
2-amino-2-[3-(carbamoylamino)propoxy]acetic acid has a molecular weight of 191.19 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(carbamoylamino)propoxy]acetic acid is sourced from PubChem (CID 170319447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).