3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid

C10H19N3O4 — CID 66165921

IUPAC3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCCCNC1CC1)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-8(9(15)16)6-13-10(17)12-5-1-4-11-7-2-3-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17)
InChIKeyWOZCLHFNGQGRRP-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.13
Rot. Bonds8

About 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid

3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid (PubChem CID 66165921) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid
PubChem CID66165921
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCCCNC1CC1)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-8(9(15)16)6-13-10(17)12-5-1-4-11-7-2-3-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17)
InChIKeyWOZCLHFNGQGRRP-UHFFFAOYSA-N
XLogP-1.13
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.13
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

(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 113481426
(2S)-2-[3-(cyclopropylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 61408013
2-hydroxy-3-(4-methylpentylcarbamoylamino)propanoic acid
CID 66166957
2-hydroxy-3-(pent-4-ynylcarbamoylamino)propanoic acid
CID 106222830
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
(2S)-2-hydroxy-3-(3-methylsulfonylpropylcarbamoylamino)propanoic acid
CID 107839386
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392
2-[3-(cyclopropylamino)propylcarbamoylamino]hexanoic acid
CID 61404756
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]hexanedioic acid
CID 107838733
(2S)-2-hydroxy-3-[4-(2-methoxyethoxy)butylcarbamoylamino]propanoic acid
CID 107841009
(2S)-3-[2-(carbamoylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107840831

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid (CID 66165921) is 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid is O=C(NCCCNC1CC1)NCC(O)C(=O)O.
What is the InChIKey of 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is WOZCLHFNGQGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-8(9(15)16)6-13-10(17)12-5-1-4-11-7-2-3-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17).
What are the key properties of 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid?
3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.13, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).