2-amino-3-[2-(carbamoylamino)ethylamino]propanamide

C6H15N5O2 — CID 103262445

IUPAC2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
SMILESNC(=O)NCCNCC(N)C(N)=O
InChIInChI=1S/C6H15N5O2/c7-4(5(8)12)3-10-1-2-11-6(9)13/h4,10H,1-3,7H2,(H2,8,12)(H3,9,11,13)
InChIKeyXFTSHPIFYFHDGS-UHFFFAOYSA-N
MW189.22 g/mol
LogP-2.94
Rot. Bonds6

About 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide

2-amino-3-[2-(carbamoylamino)ethylamino]propanamide (PubChem CID 103262445) has the molecular formula C6H15N5O2 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
PubChem CID103262445
Molecular FormulaC6H15N5O2
Molecular Weight189.22 g/mol
Exact Mass189.12
IUPAC Name2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
SMILESNC(=O)NCCNCC(N)C(N)=O
InChIInChI=1S/C6H15N5O2/c7-4(5(8)12)3-10-1-2-11-6(9)13/h4,10H,1-3,7H2,(H2,8,12)(H3,9,11,13)
InChIKeyXFTSHPIFYFHDGS-UHFFFAOYSA-N
XLogP-2.94
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-2.94
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-amino-3-(butylamino)propanamide
CID 103232681
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
2-(2-methylbutylamino)ethylurea
CID 83109541
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
CID 106305612
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(2,3-dihydroxypropylamino)propanamide
CID 103256231
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide (CID 103262445) is 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide is NC(=O)NCCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide?
The InChIKey is XFTSHPIFYFHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O2/c7-4(5(8)12)3-10-1-2-11-6(9)13/h4,10H,1-3,7H2,(H2,8,12)(H3,9,11,13).
What are the key properties of 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide?
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide has a molecular weight of 189.22 g/mol, XLogP of -2.94, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(carbamoylamino)ethylamino]propanamide is sourced from PubChem (CID 103262445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).