2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide

C9H18N4O3 — CID 19378232

IUPAC2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C9H18N4O3/c1-4(10)8(15)13-6(3)9(16)12-5(2)7(11)14/h4-6H,10H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyURVBDBIOOXPLAW-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.17
Rot. Bonds5

About 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide

2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide (PubChem CID 19378232) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
PubChem CID19378232
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C9H18N4O3/c1-4(10)8(15)13-6(3)9(16)12-5(2)7(11)14/h4-6H,10H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyURVBDBIOOXPLAW-UHFFFAOYSA-N
XLogP-2.17
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide (CID 19378232) is 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide is CC(N)C(=O)NC(C)C(=O)NC(C)C(N)=O.
What is the InChIKey of 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is URVBDBIOOXPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-4(10)8(15)13-6(3)9(16)12-5(2)7(11)14/h4-6H,10H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15).
What are the key properties of 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide?
2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 230.27 g/mol, XLogP of -2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 19378232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).